2-[[1-(3,5-dimethylcyclohexyl)piperidin-3-yl]methylamino]acetic acid

C16H30N2O2 — CID 106813828

IUPAC2-[[1-(3,5-dimethylcyclohexyl)piperidin-3-yl]methylamino]acetic acid
SMILESCC1CC(C)CC(N2CCCC(CNCC(=O)O)C2)C1
InChIInChI=1S/C16H30N2O2/c1-12-6-13(2)8-15(7-12)18-5-3-4-14(11-18)9-17-10-16(19)20/h12-15,17H,3-11H2,1-2H3,(H,19,20)
InChIKeyCTOIJACNVIHBDD-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.20
Rot. Bonds5

About 2-[[1-(3,5-dimethylcyclohexyl)piperidin-3-yl]methylamino]acetic acid

2-[[1-(3,5-dimethylcyclohexyl)piperidin-3-yl]methylamino]acetic acid (PubChem CID 106813828) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 2-[[1-(3,5-dimethylcyclohexyl)piperidin-3-yl]methylamino]acetic acid.

Molecular Properties

Compound Name2-[[1-(3,5-dimethylcyclohexyl)piperidin-3-yl]methylamino]acetic acid
PubChem CID106813828
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name2-[[1-(3,5-dimethylcyclohexyl)piperidin-3-yl]methylamino]acetic acid
SMILESCC1CC(C)CC(N2CCCC(CNCC(=O)O)C2)C1
InChIInChI=1S/C16H30N2O2/c1-12-6-13(2)8-15(7-12)18-5-3-4-14(11-18)9-17-10-16(19)20/h12-15,17H,3-11H2,1-2H3,(H,19,20)
InChIKeyCTOIJACNVIHBDD-UHFFFAOYSA-N
XLogP2.20
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-cycloheptylpiperidin-3-yl)methylamino]acetic acid
CID 106814208
N-[[1-(3-methylcyclobutyl)piperidin-3-yl]methyl]propan-2-amine
CID 104973669
2-[[1-(2-ethylcyclohexyl)piperidin-3-yl]methylamino]acetic acid
CID 106814125
2-[[1-(5-oxaspiro[3.5]nonan-8-yl)piperidin-3-yl]methylamino]acetic acid
CID 106814138
2-[[1-(2-hydroxycycloheptyl)piperidin-3-yl]methylamino]acetic acid
CID 106813876
2-[3-[(carboxymethylamino)methyl]piperidin-1-yl]propanoic acid
CID 106813990
2-[(1-spiro[3.5]nonan-3-ylpiperidin-3-yl)methylamino]acetic acid
CID 106813964
2-[[1-(2,2,5,5-tetramethyloxolan-3-yl)piperidin-3-yl]methylamino]acetic acid
CID 106814212
N-[[1-(3-methylcyclopentyl)piperidin-3-yl]methyl]propan-2-amine
CID 64514748
N-(cyclopentylmethyl)-1-(3-methylcyclobutyl)piperidin-3-amine
CID 83998037
2-[[1-[1-(cyclopropylamino)-1-oxopropan-2-yl]piperidin-3-yl]methylamino]acetic acid
CID 106813810
2-[[1-(2-methylcyclopentanecarbonyl)piperidin-3-yl]methylamino]acetic acid
CID 107181189

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(3,5-dimethylcyclohexyl)piperidin-3-yl]methylamino]acetic acid?
The IUPAC name of 2-[[1-(3,5-dimethylcyclohexyl)piperidin-3-yl]methylamino]acetic acid (CID 106813828) is 2-[[1-(3,5-dimethylcyclohexyl)piperidin-3-yl]methylamino]acetic acid.
What is the SMILES notation for 2-[[1-(3,5-dimethylcyclohexyl)piperidin-3-yl]methylamino]acetic acid?
The canonical SMILES for 2-[[1-(3,5-dimethylcyclohexyl)piperidin-3-yl]methylamino]acetic acid is CC1CC(C)CC(N2CCCC(CNCC(=O)O)C2)C1.
What is the InChIKey of 2-[[1-(3,5-dimethylcyclohexyl)piperidin-3-yl]methylamino]acetic acid?
The InChIKey is CTOIJACNVIHBDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-12-6-13(2)8-15(7-12)18-5-3-4-14(11-18)9-17-10-16(19)20/h12-15,17H,3-11H2,1-2H3,(H,19,20).
What are the key properties of 2-[[1-(3,5-dimethylcyclohexyl)piperidin-3-yl]methylamino]acetic acid?
2-[[1-(3,5-dimethylcyclohexyl)piperidin-3-yl]methylamino]acetic acid has a molecular weight of 282.43 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(3,5-dimethylcyclohexyl)piperidin-3-yl]methylamino]acetic acid is sourced from PubChem (CID 106813828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).